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Chemical structure of Methylzedoarondiol

GC69455

Methylzedoarondiol

Also known as (3S,3aS,8R,8aR)-3-hydroxy-8-methoxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one

Methylzedoarondiol is a natural product that can be extracted from Curcuma aromatic SALISB

ChemicalCAS108944-66-7MW266.38FormulaC16H26O3
CAS number
108944-66-7
Molecular weight
266.38
Formula
C16H26O3
InChIKey
JWPQPLGWOCJRTA-BFJAYTPKSA-N
Catalogue number
GC69455
Brand
GLPBIO
Computed properties PubChem CID 21626407 · XLogP 2.1 · TPSA 46.5 Ų · H-bond donors 1
XLogP
2.1
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19

SMILES CC(=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](CC1=O)(C)OC)C

Computed descriptors from PubChem (CID 21626407), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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